SCHEMBL4904546

SCHEMBL4904546

CC(C)=CCCn1cnc(C[C@@H](CO)Nc2nccc(-c3ccc(C)s3)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
DKK1 O94907 1/20 0.35
GSK3B P49841 1/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
CACNA1B Q00975 3/20 0.35
CACNA1A O00555 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
AKT3 Q9Y243 1/20 0.33
DHODH Q02127 1/20 0.33
MAPK1 P28482 1/20 0.31
JAK2 O60674 1/20 0.31
FLT3 P36888 1/20 0.31
SYK P43405 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4897686 0.84 IKBKB (0.34) IKBKBDKK1GSK3BCCNA2CDK2
SCHEMBL4902936 0.84 DHODH (0.35) IKBKBDKK1GSK3BCCNA2CDK2
SCHEMBL4905945 0.81 CPB1 (0.36) IKBKBDKK1GSK3BCCNA2CDK2
SCHEMBL4906573 0.81 AKT3 (0.37) IKBKBDKK1GSK3BCCNA2CDK2
SCHEMBL4904628 0.81 MAPK1 (0.35) IKBKBDKK1GSK3BCCNA2CDK2
SCHEMBL4906880 0.77 AKT3 (0.35) IKBKBDKK1GSK3BCCNA2CDK2
SCHEMBL4906897 0.71 IKBKB (0.39) IKBKB
SCHEMBL4895978 0.70 IKBKB (0.40) IKBKBCCNA2CDK2CCNA1CDK1
SCHEMBL4906299 0.70 IKBKB (0.41) IKBKBCCNA2CDK2AKT3MAPK1
SCHEMBL4906993 0.70 IKBKB (0.41) IKBKBAKT3MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US claimed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 IKBKB 1711/4885DKK1 9/4885GSK3B 130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.